CHEBI:152267 - α-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc

ChEBI IDCHEBI:152267
ChEBI Nameα-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc
Stars
ASCII Namealpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-alpha-D-GalpNAc
DefinitionA linear amino tetrasaccharide consisting of α-D-galactose, β-D-galactose, N-acetyl-β-D-glucosamine and (at the reducing end) N-acetyl-α-D-galactosamine residues linked conesecutively (1→3), (1→4) and (1→3).
Last Modified11 June 2020
SubmitterGareth Owen
DownloadsMolfile
FormulaC28H48N2O21
Net Charge0
Average Mass748.685
Monoisotopic Mass748.27496
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@@H](CO)O[C@@H]1O
WURCSWURCS=2.0/4,4,3/[a2112h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5]/1-2-3-4/a3-b1_b4-c1_c3-d1
InChIInChI=1S/C28H48N2O21/c1-7(35)29-13-18(40)22(12(6-34)48-26(13)50-23-14(30-8(2)36)25(44)45-10(4-32)16(23)38)49-28-21(43)24(17(39)11(5-33)47-28)51-27-20(42)19(41)15(37)9(3-31)46-27/h9-28,31-34,37-44H,3-6H2,1-2H3,(H,29,35)(H,30,36)/t9-,10-,11-,12-,13-,14-,15+,16+,17+,18-,19+,20-,21-,22-,23-,24+,25+,26+,27-,28+/m1/s1
InChIKeyZCXRJMWVAWHQJI-YISMKYESSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc (CHEBI:152267) is a amino sugar (CHEBI:28963)
α-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-α-D-GalpNAc (CHEBI:152267) is a amino tetrasaccharide (CHEBI:59412)
IUPAC Name 
α-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-2-acetamido-2-deoxy-α-D-galactopyranose
Synonyms  Source
alpha-D-galacto-hexopyranosyl-(1→3)-beta-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1→3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranoseSUBMITTER
Gal(a1-3)Gal(b1-4)GlcNAc(b1-3)a-GalNAcSUBMITTER
α-D-galactosyl-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-N-acetyl-α-D-galactosamineChEBI
Gala1-3Galb1-4GlcNAcb1-3GalNAcaChEBI
Galα1-3Galβ1-4GlcNAcβ1-3GalNAcαChEBI
α-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-α-D-GalNAcChEBI
Manual XrefsDatabases
G61009EJGlyTouCan
G61009EJGlyGen
Citations